3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]propanamide

Systemtic Name: 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]propanamide Openeye Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[(4S)-8-fluorothiochroman-4-yl]propanamide CAS Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]propanamide IUPAC Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C18H20FN3O2S MolecularWeight: 361.433703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2CCSC3=C2C=CC=C3F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)N[C@H]2CCSC3=C2C=CC=C3F

InChI

InChI=1S/C18H20FN3O2S/c1-10-12(18(24)21-11(2)20-10)6-7-16(23)22-15-8-9-25-17-13(15)4-3-5-14(17)19/h3-5,15H,6-9H2,1-2H3,(H,22,23)(H,20,21,24)/t15-/m0/s1